orbital_charges     :real:2:1,3
  0.520598944379021E+000  0.632579805127025E+000  0.846821250493954E+000
forces              :real:2:3,3
 -0.232582793564328E-001  0.560993791017550E-002 -0.655622878579238E-003
  0.652494507899870E-003  0.117131958654723E-001 -0.105739650923790E-002
  0.226057848485329E-001 -0.173231337756478E-001  0.171301938781714E-002
mermin_energy       :real:0:
 -0.551447683123466E+000
end_coords          :real:2:3,3
  0.201274444419756E+001 -0.315999325347753E+000  0.735903052679320E-001
 -0.165416768048194E+000  0.145506555849983E+001 -0.100665119682428E+000
  0.423983124295562E-001 -0.523064000471346E-002  0.270748144144993E-001
